Structure of PDB 3ctp Chain B Binding Site BS01

Receptor Information

>3ctp Chain B (length=266) Species: 293826 (Alkaliphilus metalliredigens QYMF)

SKTIGLMVPNISNPFFNQMASVIEEYAKNKGYTLFLCNTDDDKEKEKTYL
EVLQSHRVAGIIASRSQCEDEYANIDIPVVAFENHILDNIITISSDNYNG
GRMAFDHLYEKGCRKILHIKGPEVFEATELRYKGFLDGARAKDLEIDFIE
FQHDFQVKMLEEDINSMKDIVNYDGIFVFNDIAAATVMRALKKRGVSIPQ
EVQIIGFDNSFIGELLYPSLTTINQPIEALAYTIIELLIKIINGEGVLIE
DYIMEVKLIERETTIS

Ligand information

• Ligand ID: XLF
• InChI: InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5-/m1/s1
• InChIKey: LQXVFWRQNMEDEE-MROZADKFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@](O1)(CO)O)O)O
  CACTVS 3.341: OC[C@@]1(O)OC[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OCC1(O)OCC(O)C1O
  OpenEye OEToolkits 1.5.0: C1C(C(C(O1)(CO)O)O)O
  CACTVS 3.341: OC[C]1(O)OC[CH](O)[CH]1O
• Formula: C5 H10 O5
• Name: beta-D-xylulofuranose;
  beta-D-xylulose;
  D-xylulose;
  xylulose
• ZINC: ZINC000001532611
• PDB chain: 3ctp Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ctp Crystal structure of periplasmic binding protein/LacI transcriptional regulator from Alkaliphilus metalliredigens QYMF complexed with L-xylulose.
• Resolution: 1.41 Å
• Binding residue (original residue number in PDB): N72 F74 R124 E142 R190 N239 D267
• Binding residue (residue number reindexed from 1): N13 F15 R65 E83 R131 N180 D208
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000976 transcription cis-regulatory region binding
• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity

Biological Process

• GO:0006355 regulation of DNA-templated transcription

External links

• PDB: RCSB:3ctp, PDBe:3ctp, PDBj:3ctp
• PDBsum: 3ctp
• UniProt: A6TKU5